8SQR
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8ETR
| CryoEM Structure of NLRP3 NACHT domain in complex with G2394 | Descriptor: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Murray, J.M, Johnson, M.C. | Deposit date: | 2022-10-17 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor. J.Med.Chem., 65, 2022
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5YIK
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5E9E
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5DYJ
| Mysosin heavy chain kinase A catalytic domain mutant - D663A | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Myosin heavy chain kinase A, ... | Authors: | van Staalduinen, L.M, Yang, Y, Jia, Z. | Deposit date: | 2015-09-24 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Dictyostelium Myosin-II Heavy Chain Kinase A (MHCK-A) alpha-kinase domain apoenzyme reveals a novel autoinhibited conformation. Sci Rep, 6, 2016
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5E4H
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5GO7
| Linear tri-ubiquitin | Descriptor: | D-ubiquitin, Ubiquitin | Authors: | Gao, S, Pan, M, Zheng, Y. | Deposit date: | 2016-07-26 | Release date: | 2016-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GOC
| Lys11-linked diubiquitin | Descriptor: | D-ubiquitin, SODIUM ION, Ubiquitin | Authors: | Gao, S, Pan, M, Zheng, Y. | Deposit date: | 2016-07-26 | Release date: | 2016-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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4YIR
| Crystal structure of Rad4-Rad23 crosslinked to an undamaged DNA | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*G*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | Authors: | Min, J.-H, Chen, X, Kim, Y. | Deposit date: | 2015-03-02 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.0501 Å) | Cite: | Kinetic gating mechanism of DNA damage recognition by Rad4/XPC. Nat Commun, 6, 2015
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5GOG
| Lys29-linked di-ubiquitin | Descriptor: | D-ubiquitin, Ubiquitin | Authors: | Gao, S, Pan, M, Zheng, Y. | Deposit date: | 2016-07-27 | Release date: | 2016-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.977 Å) | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GO8
| Linear tetra-ubiquitin | Descriptor: | D-ubiquitin, ubiquitin | Authors: | Gao, S, Pan, M, Zheng, Y. | Deposit date: | 2016-07-26 | Release date: | 2016-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5GOD
| Lys27-linked di-ubiquitin | Descriptor: | D-ubiquitin, MAGNESIUM ION, Ubiquitin | Authors: | Gao, S, Pan, M, Zheng, Y. | Deposit date: | 2016-07-26 | Release date: | 2016-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Monomer/Oligomer Quasi-Racemic Protein Crystallography J.Am.Chem.Soc., 138, 2016
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5YIJ
| Structure of a Legionella effector with substrates | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin | Authors: | Feng, Y, Mu, Y, Wang, H. | Deposit date: | 2017-10-05 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Structural basis of ubiquitin modification by the Legionella effector SdeA. Nature, 557, 2018
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6U9K
| MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | Descriptor: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U9N
| MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6U9R
| MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6UBF
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6U9M
| MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6AGG
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6VG7
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6VGA
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6VGB
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6VX3
| NaChBac in GDN | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, BH1501 protein | Authors: | Yan, N, Gao, S. | Deposit date: | 2020-02-21 | Release date: | 2020-06-24 | Last modified: | 2020-07-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Employing NaChBac for cryo-EM analysis of toxin action on voltage-gated Na+channels in nanodisc. Proc.Natl.Acad.Sci.USA, 117, 2020
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5VFC
| WDR5 bound to inhibitor MM-589 | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2017-04-07 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J. Med. Chem., 60, 2017
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8JLP
| Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex | Descriptor: | 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide, Gs, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H. | Deposit date: | 2023-06-02 | Release date: | 2023-11-15 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Ligand recognition and G-protein coupling of trace amine receptor TAAR1. Nature, 624, 2023
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